CID 21071569

5,6,7-trifluoro-1h-indole

Structural Information

Molecular Formula
C8H4F3N
SMILES
C1=CNC2=C(C(=C(C=C21)F)F)F
InChI
InChI=1S/C8H4F3N/c9-5-3-4-1-2-12-8(4)7(11)6(5)10/h1-3,12H
InChIKey
QSMSVCBDSJEBFM-UHFFFAOYSA-N
Compound name
5,6,7-trifluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

171.02959 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.036866 125.6
[M+Na]+ 194.018808 138.5
[M-H]- 170.022314 125.0
[M+NH4]+ 189.063413 147.6
[M+K]+ 209.992748 133.6
[M+H-H2O]+ 154.026850 117.8
[M+HCOO]- 216.027791 146.7
[M+CH3COO]- 230.043441 139.9
[M+Na-2H]- 192.004256 131.7
[M]+ 171.02904142 122.7
[M]- 171.03013858 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe